N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-(2-methoxyethylsulfinyl)quinazolin-4-amine hydrochloride

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-(2-methoxyethylsulfinyl)quinazolin-4-amine hydrochloride Openeye Name: N-(4-chloro-2-fluoro-phenyl)-6-methoxy-7-(2-methoxyethylsulfinyl)quinazolin-4-amine hydrochloride CAS Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethylsulfinyl)-4-quinazolinamine hydrochloride IUPAC Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethylsulfinyl)quinazolin-4-amine hydrochloride Traditional Name: (4-chloro-2-fluoro-phenyl)-[6-methoxy-7-(2-methoxyethylsulfinyl)quinazolin-4-yl]amine hydrochloride Formula: C18H18Cl2FN3O3S MolecularWeight: 446.323223

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Descriptors Computed from Structure

Canonical SMILES:

COCCS(=O)C1=C(C=C2C(=C1)N=CN=C2NC3=C(C=C(C=C3)Cl)F)OC.Cl

Isomeric SMILES

COCCS(=O)C1=C(C=C2C(=C1)N=CN=C2NC3=C(C=C(C=C3)Cl)F)OC.Cl

InChI

InChI=1S/C18H17ClFN3O3S.ClH/c1-25-5-6-27(24)17-9-15-12(8-16(17)26-2)18(22-10-21-15)23-14-4-3-11(19)7-13(14)20;/h3-4,7-10H,5-6H2,1-2H3,(H,21,22,23);1H